tert-butyl 2-carboniodidoyl-3-(2-methoxy-2-oxidanylidene-ethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-carboniodidoyl-3-(2-methoxy-2-oxidanylidene-ethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-iodocarbonyl-3-(2-methoxy-2-oxo-ethyl)piperazine-1-carboxylate CAS Name: 2-carboniodidoyl-3-(2-methoxy-2-oxoethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carboniodidoyl-3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate Traditional Name: 2-iodocarbonyl-3-(2-keto-2-methoxy-ethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H21IN2O5 MolecularWeight: 412.22071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(C1C(=O)I)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(C1C(=O)I)CC(=O)OC

InChI

InChI=1S/C13H21IN2O5/c1-13(2,3)21-12(19)16-6-5-15-8(7-9(17)20-4)10(16)11(14)18/h8,10,15H,5-7H2,1-4H3